N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C24H20Cl2N4O4 — CID 3488910

IUPACN-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O4/c25-18-10-19(26)12-20(11-18)29-22(31)15-34-21-8-6-17(7-9-21)14-28-30-24(33)23(32)27-13-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,27,32)(H,29,31)(H,30,33)
InChIKeyFMCSNRXJHZRRDM-UHFFFAOYSA-N
MW499.35 g/mol
LogP3.78
Rot. Bonds8

About N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 3488910) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID3488910
Molecular FormulaC24H20Cl2N4O4
Molecular Weight499.35 g/mol
Exact Mass498.09
IUPAC NameN-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl2N4O4/c25-18-10-19(26)12-20(11-18)29-22(31)15-34-21-8-6-17(7-9-21)14-28-30-24(33)23(32)27-13-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,27,32)(H,29,31)(H,30,33)
InChIKeyFMCSNRXJHZRRDM-UHFFFAOYSA-N
XLogP3.78
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174356
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832352
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266123
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268511
N-benzyl-N'-[(Z)-[3-bromo-4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]oxamide
CID 6024584
N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94832376
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126181971
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126261578
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126278911
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 94832281

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 3488910) is N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is FMCSNRXJHZRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c25-18-10-19(26)12-20(11-18)29-22(31)15-34-21-8-6-17(7-9-21)14-28-30-24(33)23(32)27-13-16-4-2-1-3-5-16/h1-12,14H,13,15H2,(H,27,32)(H,29,31)(H,30,33).
What are the key properties of N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 499.35 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 3488910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).